3-pyridin-2-yl-N-pyridin-3-ylpropanamide

C13H13N3O — CID 47468155

IUPAC3-pyridin-2-yl-N-pyridin-3-ylpropanamide
SMILESO=C(CCc1ccccn1)Nc1cccnc1
InChIInChI=1S/C13H13N3O/c17-13(16-12-5-3-8-14-10-12)7-6-11-4-1-2-9-15-11/h1-5,8-10H,6-7H2,(H,16,17)
InChIKeyVRAWHXUCHJUICZ-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.05
Rot. Bonds4

About 3-pyridin-2-yl-N-pyridin-3-ylpropanamide

3-pyridin-2-yl-N-pyridin-3-ylpropanamide (PubChem CID 47468155) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is 3-pyridin-2-yl-N-pyridin-3-ylpropanamide.

Molecular Properties

Compound Name3-pyridin-2-yl-N-pyridin-3-ylpropanamide
PubChem CID47468155
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC Name3-pyridin-2-yl-N-pyridin-3-ylpropanamide
SMILESO=C(CCc1ccccn1)Nc1cccnc1
InChIInChI=1S/C13H13N3O/c17-13(16-12-5-3-8-14-10-12)7-6-11-4-1-2-9-15-11/h1-5,8-10H,6-7H2,(H,16,17)
InChIKeyVRAWHXUCHJUICZ-UHFFFAOYSA-N
XLogP2.05
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-hydroxyphenyl)-3-pyridin-2-ylpropanamide
CID 80743821
N-pyridin-3-yl-3-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]propanamide
CID 124756224
2-[[ethylamino-(2-pyridin-2-ylethylamino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide
CID 111191237
N-methyl-3-pyridin-2-ylpropanamide
CID 14093010
2-[[N'-methyl-N-(pyridin-2-ylmethyl)carbamimidoyl]amino]-N-pyridin-3-ylacetamide
CID 110969344
N-(2,6-difluorophenyl)-3-pyridin-2-ylpropanamide
CID 110389270
4,4-diphenyl-N-pyridin-3-ylbutanamide
CID 11976417
N-(2-phenylethyl)-N'-pyridin-3-ylbutanediamide
CID 51362474
N-(3-amino-4-fluorophenyl)-3-pyridin-2-ylpropanamide
CID 81466595
N-(3-bromo-4-methylphenyl)-3-pyridin-2-ylpropanamide
CID 110389230
4-pyridin-2-yl-N-(3-pyrimidin-2-yloxyphenyl)butanamide
CID 75371190
2-[4-[2-oxo-2-(pyridin-3-ylamino)ethyl]phenyl]-N-pyridin-3-ylacetamide
CID 177434462

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-2-yl-N-pyridin-3-ylpropanamide?
The IUPAC name of 3-pyridin-2-yl-N-pyridin-3-ylpropanamide (CID 47468155) is 3-pyridin-2-yl-N-pyridin-3-ylpropanamide.
What is the SMILES notation for 3-pyridin-2-yl-N-pyridin-3-ylpropanamide?
The canonical SMILES for 3-pyridin-2-yl-N-pyridin-3-ylpropanamide is O=C(CCc1ccccn1)Nc1cccnc1.
What is the InChIKey of 3-pyridin-2-yl-N-pyridin-3-ylpropanamide?
The InChIKey is VRAWHXUCHJUICZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c17-13(16-12-5-3-8-14-10-12)7-6-11-4-1-2-9-15-11/h1-5,8-10H,6-7H2,(H,16,17).
What are the key properties of 3-pyridin-2-yl-N-pyridin-3-ylpropanamide?
3-pyridin-2-yl-N-pyridin-3-ylpropanamide has a molecular weight of 227.27 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-2-yl-N-pyridin-3-ylpropanamide is sourced from PubChem (CID 47468155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).